N-(4-bromophenyl)-3-[(4-fluorophenyl)methylamino]propanamide

C16H16BrFN2O — CID 109021254

IUPACN-(4-bromophenyl)-3-[(4-fluorophenyl)methylamino]propanamide
SMILESO=C(CCNCc1ccc(F)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H16BrFN2O/c17-13-3-7-15(8-4-13)20-16(21)9-10-19-11-12-1-5-14(18)6-2-12/h1-8,19H,9-11H2,(H,20,21)
InChIKeyJWUJQRNVDNFSLV-UHFFFAOYSA-N
MW351.22 g/mol
LogP3.71
Rot. Bonds6

About N-(4-bromophenyl)-3-[(4-fluorophenyl)methylamino]propanamide

N-(4-bromophenyl)-3-[(4-fluorophenyl)methylamino]propanamide (PubChem CID 109021254) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-[(4-fluorophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-[(4-fluorophenyl)methylamino]propanamide
PubChem CID109021254
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC NameN-(4-bromophenyl)-3-[(4-fluorophenyl)methylamino]propanamide
SMILESO=C(CCNCc1ccc(F)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H16BrFN2O/c17-13-3-7-15(8-4-13)20-16(21)9-10-19-11-12-1-5-14(18)6-2-12/h1-8,19H,9-11H2,(H,20,21)
InChIKeyJWUJQRNVDNFSLV-UHFFFAOYSA-N
XLogP3.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-bromophenyl)-3-[(4-fluorophenyl)methylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021226
N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021260
3-(ethylamino)-N-(4-fluorophenyl)propanamide
CID 62832288
2-(4-bromophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 49165568
2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 60605382
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546484
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7544356
2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253204
3-[2-(4-fluorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109025174
N-[3-(4-bromoanilino)-3-oxopropyl]-3-(4-fluorophenyl)butanamide
CID 55952744
2-[[2-(4-bromoanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201213
N-(4-bromophenyl)-3-(3-methylbutylamino)propanamide
CID 109032040

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-[(4-fluorophenyl)methylamino]propanamide?
The IUPAC name of N-(4-bromophenyl)-3-[(4-fluorophenyl)methylamino]propanamide (CID 109021254) is N-(4-bromophenyl)-3-[(4-fluorophenyl)methylamino]propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-[(4-fluorophenyl)methylamino]propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-[(4-fluorophenyl)methylamino]propanamide is O=C(CCNCc1ccc(F)cc1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-[(4-fluorophenyl)methylamino]propanamide?
The InChIKey is JWUJQRNVDNFSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c17-13-3-7-15(8-4-13)20-16(21)9-10-19-11-12-1-5-14(18)6-2-12/h1-8,19H,9-11H2,(H,20,21).
What are the key properties of N-(4-bromophenyl)-3-[(4-fluorophenyl)methylamino]propanamide?
N-(4-bromophenyl)-3-[(4-fluorophenyl)methylamino]propanamide has a molecular weight of 351.22 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-[(4-fluorophenyl)methylamino]propanamide is sourced from PubChem (CID 109021254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).